6WE2
Human PARP14 (ARTD8), catalytic fragment in complex with RBN012759
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CLSI BEAMLINE 08ID-1 |
| Synchrotron site | CLSI |
| Beamline | 08ID-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-08-22 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 83.500, 84.050, 80.890 |
| Unit cell angles | 90.00, 116.02, 90.00 |
Refinement procedure
| Resolution | 42.060 - 2.660 |
| R-factor | 0.24825 |
| Rwork | 0.246 |
| R-free | 0.29596 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3smj |
| RMSD bond length | 0.003 |
| RMSD bond angle | 1.241 |
| Data reduction software | XDS |
| Data scaling software | HKL-2000 |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 42.060 | 2.790 |
| High resolution limit [Å] | 2.660 | 2.660 |
| Rmerge | 0.117 | 0.582 |
| Number of reflections | 13344 | 955 |
| <I/σ(I)> | 7.6 | 2 |
| Completeness [%] | 98.8 | 98.5 |
| Redundancy | 4 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291.15 | 0.2 M Ammonium sulfate; 0.1 M tri-Sodium citrate pH 5.6; 25 % w/v PEG 4000 |
